ChemSpider 2D Image | 2F7PT659E4 | C24H35NO4

2F7PT659E4

  • Molecular FormulaC24H35NO4
  • Average mass401.539 Da
  • Monoisotopic mass401.256622 Da
  • ChemSpider ID32701868

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-(3-phenylpropoxy)hexyl]amino]methyl]- [ACD/Index Name]
2-(Hydroxymethyl)-4-(1-hydroxy-2-{[6-(3-phenylpropoxy)hexyl]amino}ethyl)phenol [ACD/IUPAC Name]
2-(Hydroxymethyl)-4-(1-hydroxy-2-{[6-(3-phenylpropoxy)hexyl]amino}ethyl)phenol [German] [ACD/IUPAC Name]
2-(Hydroxyméthyl)-4-(1-hydroxy-2-{[6-(3-phénylpropoxy)hexyl]amino}éthyl)phénol [French] [ACD/IUPAC Name]
2F7PT659E4
94749-11-8 [RN]
DES(PHENYLBUTOXY)PHENYLPROPOXY SALMETEROL
UNII:2F7PT659E4
2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(3-phenylpropoxy)hexylamino]ethyl]phenol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 20.20
Polar Surface Area: 82 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 357.2±3.0 cm3

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